ChemSpider 2D Image | 5'-Fluoro-6H,8H-spiro[chromeno[3',4':5,6]pyrano[3,2-c]chromene-7,3'-indole]-2',6,8(1'H)-trione | C26H12FNO6

5'-Fluoro-6H,8H-spiro[chromeno[3',4':5,6]pyrano[3,2-c]chromene-7,3'-indole]-2',6,8(1'H)-trione

  • Molecular FormulaC26H12FNO6
  • Average mass453.375 Da
  • Monoisotopic mass453.064850 Da
  • ChemSpider ID30657550

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5'-Fluoro-6H,8H-spiro[chromeno[3',4':5,6]pyrano[3,2-c]chromene-7,3'-indole]-2',6,8(1'H)-trione [ACD/IUPAC Name]
Spiro[6H,7H,8H--1benzopyrano[3',4':5,6]pyrano[3,2-c][1]benzopyran-7,3'-[3H]indole]-2',6,8(1'H)-trione, 5'-fluoro- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4463026/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 793.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.6±32.9 °C
Index of Refraction: 1.777
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4289.70
ACD/KOC (pH 5.5): 13857.25
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4271.13
ACD/KOC (pH 7.4): 13797.25
Polar Surface Area: 91 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 270.7±5.0 cm3

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